(4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

C22H26N4O3 — CID 146223088

IUPAC(4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILESCCOc1ncc(C)c2c1[C@H](C1=CC(C)C(C#N)C=C1OC)C(C(N)=O)=C(C)N2
InChIInChI=1S/C22H26N4O3/c1-6-29-22-19-18(15-7-11(2)14(9-23)8-16(15)28-5)17(21(24)27)13(4)26-20(19)12(3)10-25-22/h7-8,10-11,14,18,26H,6H2,1-5H3,(H2,24,27)/t11?,14?,18-/m1/s1
InChIKeyNRKYPSCLSJYFOQ-AOUJDYRVSA-N
MW394.48 g/mol
LogP3.30
Rot. Bonds5

About (4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

(4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (PubChem CID 146223088) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name(4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
PubChem CID146223088
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILESCCOc1ncc(C)c2c1[C@H](C1=CC(C)C(C#N)C=C1OC)C(C(N)=O)=C(C)N2
InChIInChI=1S/C22H26N4O3/c1-6-29-22-19-18(15-7-11(2)14(9-23)8-16(15)28-5)17(21(24)27)13(4)26-20(19)12(3)10-25-22/h7-8,10-11,14,18,26H,6H2,1-5H3,(H2,24,27)/t11?,14?,18-/m1/s1
InChIKeyNRKYPSCLSJYFOQ-AOUJDYRVSA-N
XLogP3.30
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide with MolForge

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Related Compounds

Finerenone
CID 60150535
4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
CID 24993045
4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-1,6-naphthyridine-3-carboxylic acid
CID 59349656
2-Cyanoethyl 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 68600597
CI 951
CID 128276
Ethyl 9-amino-5-methyl-7-pyridin-4-yl-4-oxa-2-azatricyclo[8.5.0.03,8]pentadeca-1(10),2,5,8-tetraene-6-carboxylate
CID 44445170
ethyl (7R)-9-amino-5-methyl-7-pyridin-4-yl-4-oxa-2-azatricyclo[8.5.0.03,8]pentadeca-1(10),2,5,8-tetraene-6-carboxylate
CID 76307985
(4R)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-1,6-naphthyridine-3-carboxamide
CID 59349636
ethyl (7R)-9-amino-5-methyl-7-pyridin-3-yl-4-oxa-2-azatricyclo[8.5.0.03,8]pentadeca-1(10),2,5,8-tetraene-6-carboxylate
CID 76315135
(+/-)-1,2,5,10-Tetrahydro-9-isopropoxy-1-oxo-10-(2-trifluoromethylphenyl)-pyrido[4,3-b][1,6]naphthyridine
CID 9801169
Methyl 4-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 13603463
Methyl 2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 13603469

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The IUPAC name of (4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (CID 146223088) is (4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for (4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for (4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is CCOc1ncc(C)c2c1[C@H](C1=CC(C)C(C#N)C=C1OC)C(C(N)=O)=C(C)N2.
What is the InChIKey of (4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The InChIKey is NRKYPSCLSJYFOQ-AOUJDYRVSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-6-29-22-19-18(15-7-11(2)14(9-23)8-16(15)28-5)17(21(24)27)13(4)26-20(19)12(3)10-25-22/h7-8,10-11,14,18,26H,6H2,1-5H3,(H2,24,27)/t11?,14?,18-/m1/s1.
What are the key properties of (4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
(4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-cyano-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 146223088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).